UCSF

ZINC04452976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 5.02 -10.96 2 7 0 127 311.345 2
Mid Mid (pH 6-8) 1.58 1.52 -43.21 2 7 1 126 312.353 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )